Keyword(s): Human Metabolites
Molecule Category Free-form
UNII TYB3T39JWP
EPA CompTox DTXSID8063468

Structure

InChI Key GFIWSSUBVYLTRF-UHFFFAOYSA-N
Smiles OCCNCCNCCO
InChI
InChI=1S/C6H16N2O2/c9-5-3-7-1-2-8-4-6-10/h7-10H,1-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H16N2O2
Molecular Weight 148.12
AlogP -1.85
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 7.0
Polar Surface Area 64.52
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 4439-20-7
NORMAN SUSDAT
FDA SRS TYB3T39JWP
PubChem 78179
ChemSpider 70555.0